1-(1,3-benzodioxol-5-ylmethyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-ium chloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-naphthylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-naphthalenylsulfonyl)piperazin-1-ium chloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium chloride Traditional Name: 1-(2-naphthylsulfonyl)-4-piperonyl-piperazin-4-ium chloride Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.[Cl-]

InChI

InChI=1S/C22H22N2O4S.ClH/c25-29(26,20-7-6-18-3-1-2-4-19(18)14-20)24-11-9-23(10-12-24)15-17-5-8-21-22(13-17)28-16-27-21;/h1-8,13-14H,9-12,15-16H2;1H